N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[2-(2-thienyl)thiazol-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2-thiophen-2-yl-4-thiazolyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[[2-(2-thienyl)thiazol-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H16N2O4S3 MolecularWeight: 408.51494

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CSC(=N3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CSC(=N3)C4=CC=CS4)OC1

InChI

InChI=1S/C17H16N2O4S3/c20-26(21,13-4-5-14-15(9-13)23-7-2-6-22-14)18-10-12-11-25-17(19-12)16-3-1-8-24-16/h1,3-5,8-9,11,18H,2,6-7,10H2